In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 31 | Yes |
Popular Name: 1-[(4-isobutoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine 1-[(4-isobutoxyphenyl)methyl]-4-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.04 | 10.24 | -42.17 | 1 | 6 | 1 | 45 | 429.581 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 10.3 | -44.39 | 1 | 6 | 1 | 45 | 429.581 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 7.91 | -9.67 | 0 | 6 | 0 | 43 | 428.573 | 10 | ↓ |